Geometry & MOs

Info

ID:	325260
PubChem CID:	126682328
Reduced:	NF3O3C18H24 (1)
Stoich.:	AB3C3D18E24 (1)
Weight, g/mol:	258.086764
ΔH_f, kcal/mol:	-290.79
Dipole, Da:	2.06
IP(EA), eV:	-9.77(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,4S)-3,3-difluoro-6-(2-fluorophenyl)-4-hydroxyhept-5-en-2-one

Drug info:

PubChemData

Smile

C[C@@](C1=CC=CC=C1F)(C2(CC(C2)(F)F)CO)NC(=O)OC(C)(C)C

DOS

IR

Vibrations